N-(phenylmethyl)-3-[(3-thiophen-3-ylpropanoylamino)carbamoyl]benzenesulfonamide

Systemtic Name: N-(phenylmethyl)-3-[(3-thiophen-3-ylpropanoylamino)carbamoyl]benzenesulfonamide Openeye Name: N-benzyl-3-[[3-(3-thienyl)propanoylamino]carbamoyl]benzenesulfonamide CAS Name: 3-[oxo-[[1-oxo-3-(3-thiophenyl)propyl]hydrazo]methyl]-N-(phenylmethyl)benzenesulfonamide IUPAC Name: N-benzyl-3-[(3-thiophen-3-ylpropanoylamino)carbamoyl]benzenesulfonamide Traditional Name: N-benzyl-3-[[3-(3-thienyl)propanoylamino]carbamoyl]benzenesulfonamide Formula: C21H21N3O4S2 MolecularWeight: 443.53914

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNS(=O)(=O)C2=CC=CC(=C2)C(=O)NNC(=O)CCC3=CSC=C3

Isomeric SMILES

C1=CC=C(C=C1)CNS(=O)(=O)C2=CC=CC(=C2)C(=O)NNC(=O)CCC3=CSC=C3

InChI

InChI=1S/C21H21N3O4S2/c25-20(10-9-17-11-12-29-15-17)23-24-21(26)18-7-4-8-19(13-18)30(27,28)22-14-16-5-2-1-3-6-16/h1-8,11-13,15,22H,9-10,14H2,(H,23,25)(H,24,26)